4-acetamido-N-(1-cyclohexyl-4-oxidanyl-pyrrolidin-3-yl)-N-methyl-benzamide hydrate

Systemtic Name: 4-acetamido-N-(1-cyclohexyl-4-oxidanyl-pyrrolidin-3-yl)-N-methyl-benzamide hydrate Openeye Name: 4-acetamido-N-(1-cyclohexyl-4-hydroxy-pyrrolidin-3-yl)-N-methyl-benzamide hydrate CAS Name: 4-acetamido-N-(1-cyclohexyl-4-hydroxy-3-pyrrolidinyl)-N-methylbenzamide hydrate IUPAC Name: 4-acetamido-N-(1-cyclohexyl-4-hydroxypyrrolidin-3-yl)-N-methylbenzamide hydrate Traditional Name: 4-acetamido-N-(1-cyclohexyl-4-hydroxy-pyrrolidin-3-yl)-N-methyl-benzamide hydrate Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N(C)C2CN(CC2O)C3CCCCC3.O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N(C)C2CN(CC2O)C3CCCCC3.O

InChI

InChI=1S/C20H29N3O3.H2O/c1-14(24)21-16-10-8-15(9-11-16)20(26)22(2)18-12-23(13-19(18)25)17-6-4-3-5-7-17;/h8-11,17-19,25H,3-7,12-13H2,1-2H3,(H,21,24);1H2